SCHEMBL1813261

SCHEMBL1813261

NC[C@H](Oc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.50
PPARG P37231 15/20 0.50
OGG1 O15527 1/20 0.50
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8852972 0.84 SMN1; SMN2 (0.58) PPARAPPARGOGG1
SCHEMBL4170587 0.83 PPARG (0.57) PPARAPPARG
SCHEMBL4173522 0.81 PPARG (0.68) PPARAPPARG
SCHEMBL19803613 0.80 PPARA (0.59) PPARAPPARG
SCHEMBL21016770 0.80 PPARA (0.59) PPARAPPARG
SCHEMBL19803610 0.80 PPARA (0.59) PPARAPPARG
SCHEMBL23809764 0.77 PPARA (0.67) PPARAPPARG
SCHEMBL21017250 0.77 PPARA (0.67) PPARAPPARG
SCHEMBL4185051 0.76 PPARA (0.68) PPARAPPARG
SCHEMBL1816175 0.76 NOS2 (0.56) PPARAPPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 US claimed
US-20090227680-A1 Amino Acid Derivatives PFIZER, INC. (US) 2009-09-10 US claimed
EP-1951655-A2 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-08-06 EP claimed
WO-2007057767-A2 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO claimed
US-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-06-02 US disclosed
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227680-A1 Amino Acid Derivatives OPRL1, OPRK1, AVPR1A PPARA 1589/4885PPARG 2322/4885OGG1 4792/4885
US-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, OPRD1 PPARA 351/4885PPARG 356/4885OGG1 2215/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG PPARA 345/4885PPARG 327/4885OGG1 2034/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.